8002-6364 Screening compound: methyl N-[2,2-bis(benzylamino)-1-cyanoeth-1-en-1-yl]carbamate

8002-6364 Screening compound: methyl N-[2,2-bis(benzylamino)-1-cyanoeth-1-en-1-yl]carbamate
8002-6364 Screening compound: methyl N-[2,2-bis(benzylamino)-1-cyanoeth-1-en-1-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6364
methyl N-[2,2-bis(benzylamino)-1-cyanoeth-1-en-1-yl]carbamate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8002-6364

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

methyl N-[2,2-bis(benzylamino)-1-cyanoeth-1-en-1-yl]carbamate

IUPAC name

methyl N-[22-bis(benzylamino)-1-cyanoeth-1-en-1-yl]carbamate

SMILES

COC(NC(C#N)=C(NCc1ccccc1)NCc1ccccc1)=O

InChI

InChI=1S/C19H20N4O2/c1-25-19(24)23-17(12-20)18(21-13-15-8-4-2-5-9-15)22-14-16-10-6-3-7-11-16/h2-11,21-22H,13-14H2,1H3,(H,23,24)

InChI Key

OTEATBNBHHZTBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00521983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-2.31

Polar Surface Area

73.444

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8002-6364 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-6364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6364?
Check Price and Availability of 8002-6364, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-6364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6364
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8002-6364 available by request